2-dodecanoyloxyethyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 2-dodecanoyloxyethyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2-dodecanoyloxyethyl)-dimethyl-ammonium chloride CAS Name: dimethyl-[2-(1-oxododecoxy)ethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2-dodecanoyloxyethyl)-dimethylazanium chloride Traditional Name: benzyl-(2-lauroyloxyethyl)-dimethyl-ammonium chloride Formula: C23H40ClNO2 MolecularWeight: 398.0222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C23H40NO2.ClH/c1-4-5-6-7-8-9-10-11-15-18-23(25)26-20-19-24(2,3)21-22-16-13-12-14-17-22;/h12-14,16-17H,4-11,15,18-21H2,1-3H3;1H/q+1;/p-1